5-chloro-2-hydroxy-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide

C19H21ClN2O4 — CID 46862079

IUPAC5-chloro-2-hydroxy-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(NC(=O)[C@@H](NC(=O)c2cc(Cl)ccc2O)C(C)C)cc1
InChIInChI=1S/C19H21ClN2O4/c1-11(2)17(19(25)21-13-5-7-14(26-3)8-6-13)22-18(24)15-10-12(20)4-9-16(15)23/h4-11,17,23H,1-3H3,(H,21,25)(H,22,24)/t17-/m0/s1
InChIKeyVBDWHTZMOYKATQ-KRWDZBQOSA-N
MW376.84 g/mol
LogP3.45
Rot. Bonds6

About 5-chloro-2-hydroxy-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide

5-chloro-2-hydroxy-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 46862079) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID46862079
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name5-chloro-2-hydroxy-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(NC(=O)[C@@H](NC(=O)c2cc(Cl)ccc2O)C(C)C)cc1
InChIInChI=1S/C19H21ClN2O4/c1-11(2)17(19(25)21-13-5-7-14(26-3)8-6-13)22-18(24)15-10-12(20)4-9-16(15)23/h4-11,17,23H,1-3H3,(H,21,25)(H,22,24)/t17-/m0/s1
InChIKeyVBDWHTZMOYKATQ-KRWDZBQOSA-N
XLogP3.45
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
CID 46180343
N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
CID 102165998
5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 155540745
N-[(2S)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-2-hydroxybenzamide
CID 46862080
2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid
CID 43185169
4-[[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 55342319
N-[1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 42909230
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 163300797
4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide
CID 4852669
2,4-dichloro-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 7613187
2,4-dimethoxy-N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 42703785
2,4-dimethoxy-N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]benzamide
CID 45076837

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 46862079) is 5-chloro-2-hydroxy-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide is COc1ccc(NC(=O)[C@@H](NC(=O)c2cc(Cl)ccc2O)C(C)C)cc1.
What is the InChIKey of 5-chloro-2-hydroxy-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is VBDWHTZMOYKATQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-11(2)17(19(25)21-13-5-7-14(26-3)8-6-13)22-18(24)15-10-12(20)4-9-16(15)23/h4-11,17,23H,1-3H3,(H,21,25)(H,22,24)/t17-/m0/s1.
What are the key properties of 5-chloro-2-hydroxy-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
5-chloro-2-hydroxy-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 376.84 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 46862079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).